N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide

C21H20F3N3O — CID 163495401

IUPACN-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CC2CCC(NC(=O)c3ccccn3)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)18-12-15(4-7-16(18)13-25)11-14-5-8-17(9-6-14)27-20(28)19-3-1-2-10-26-19/h1-4,7,10,12,14,17H,5-6,8-9,11H2,(H,27,28)
InChIKeyCQGNVKQSPAHECS-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.50
Rot. Bonds4

About N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide

N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 163495401) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide
PubChem CID163495401
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CC2CCC(NC(=O)c3ccccn3)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)18-12-15(4-7-16(18)13-25)11-14-5-8-17(9-6-14)27-20(28)19-3-1-2-10-26-19/h1-4,7,10,12,14,17H,5-6,8-9,11H2,(H,27,28)
InChIKeyCQGNVKQSPAHECS-UHFFFAOYSA-N
XLogP4.50
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
4-tert-butyl-N-[4-[(4-cyano-3-methylphenyl)methyl]cyclohexyl]benzamide
CID 174171949
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane
CID 167579715
6-N-cyclopropyl-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093944
N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 65483586
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820497
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109295853
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide
CID 155476798
N-[5-(3-chloro-4-cyanophenoxy)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]pyridine-2-carboxamide
CID 155219152

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide (CID 163495401) is N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide is N#Cc1ccc(CC2CCC(NC(=O)c3ccccn3)CC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is CQGNVKQSPAHECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c22-21(23,24)18-12-15(4-7-16(18)13-25)11-14-5-8-17(9-6-14)27-20(28)19-3-1-2-10-26-19/h1-4,7,10,12,14,17H,5-6,8-9,11H2,(H,27,28).
What are the key properties of N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide?
N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 163495401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).